Geometry & MOs

Info

ID:	186861
PubChem CID:	77497479
Reduced:	SO3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	406.17871
ΔH_f, kcal/mol:	-70.65
Dipole, Da:	2.8
IP(EA), eV:	-8.53(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(butylamino)-2-phenoxy-5-(tetrazolidin-5-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC=CC(=O)CS(=O)C1=CC=CC=C1

DOS

IR

Vibrations